(phenylmethyl) N-[(1S,2S)-2-(cyclohexylcarbamothioylamino)-1,2-diphenyl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S,2S)-2-(cyclohexylcarbamothioylamino)-1,2-diphenyl-ethyl]carbamate Openeye Name: benzyl N-[(1S,2S)-2-(cyclohexylcarbamothioylamino)-1,2-diphenyl-ethyl]carbamate CAS Name: N-[(1S,2S)-2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1,2-diphenylethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S,2S)-2-(cyclohexylcarbamothioylamino)-1,2-diphenylethyl]carbamate Traditional Name: N-[(1S,2S)-2-(cyclohexylthiocarbamoylamino)-1,2-diphenyl-ethyl]carbamic acid benzyl ester Formula: C29H33N3O2S MolecularWeight: 487.65622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=S)N[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O2S/c33-29(34-21-22-13-5-1-6-14-22)32-27(24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)31-28(35)30-25-19-11-4-12-20-25/h1-3,5-10,13-18,25-27H,4,11-12,19-21H2,(H,32,33)(H2,30,31,35)/t26-,27-/m0/s1